Information card for entry 4081987

Structure parameters

• Common name: C30H38N3NaO2, 2(C7H8)
• Formula: C44 H54 N3 Na O2
• Calculated formula: C44 H54 N3 Na O2
• Title of publication: Unusual Redox Chemistry of Ytterbium Carbazole‒Bis(oxazoline) Compounds: Oxidative Coupling of Primary Phosphines by an Ytterbium Carbazole‒Bis(oxazoline) Dialkyl
• Authors of publication: Zou, Jin; Berg, David J.; Oliver, Allen; Twamley, Brendan
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6532
• a: 19.2099 ± 0.0006 Å
• b: 9.593 ± 0.0003 Å
• c: 21.3759 ± 0.0007 Å
• α: 90°
• β: 101.348 ± 0.001°
• γ: 90°
• Cell volume: 3862.2 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No